SCHEMBL8559927

SCHEMBL8559927

CC(C)(C)c1nc(-c2ccc(F)cc2)c(-c2ccccc2S(N)(=O)=O)o1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.49
PTGS1 P23219 6/20 0.49
USP1 O94782 1/20 0.41
USP19 O94966 1/20 0.41
UCHL3 P15374 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
ALOX5 P09917 1/20 0.39
ALOX5AP P20292 4/20 0.38
FEN1 P39748 4/20 0.38
CA9 Q16790 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8560331 0.85 PTGS2 (0.67) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8560092 0.82 USP1 (0.57) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8561935 0.81 CA12 (0.38) PTGS2PTGS1USP1USP19TRPV1
SCHEMBL7502550 0.81 PTGS2 (0.70) PTGS2PTGS1ALOX5MAOAMAOB
SCHEMBL8589897 0.81 NR4A2 (0.40) PTGS2CA9MAOB
SCHEMBL8558731 0.81 PTGS2 (0.47) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8556142 0.80 PTGS2 (0.46) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8558824 0.79 PTGS2 (0.45) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8561129 0.78 PTGS2 (0.44) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8558402 0.78 PTGS2 (0.44) PTGS2PTGS1USP1USP19UCHL3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed